CAS RN: 510733-97-8
ATC 0175
Product Availability
Choose a grade to view its available package options.
8 package records5 with current stock2 grade groups
- Product code: starshine_CAS510733-97-8
- Purity/Analytical Methods: >99.0%
510733-97-8 / N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride
Basic Information
CAS
510733-97-8
Multi CAS
No
Molecular Formula
C23H26CLF2N5O
Molecular Weight
461.900000
Exact Mass
461.179395
InChI
InChI=1S/C23H25F2N5O.ClH/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14;/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29);1H
InChIKey
HUUPKFUYSQNNLO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
16
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
124.6
TPSA
70.15
LogP / Solubility
WLOGP
4.55
MLOGP
4.03
XLogP3
4.55
Consensus LogP
4.38
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.04
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
-
-
1H-Naphth[2,3-d]imidazole-2-methanamine(9CI)
- CAS RN: 510764-23-5
- Product Code: SSC-157865
-
DIMETHYL-[3-(TETRAHYDRO-PYRIMIDIN-1-YL)-PROPYL]-AMINE
- CAS RN: 510764-57-5
- Product Code: starshine_CAS510764-57-5
- Purity/Analytical method: >99.0%
-
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)aniline
- CAS RN: 510771-54-7
- Product Code: SSC-157869
![CAS 510764-23-5 1H-Naphth[2,3-d]imidazole-2-methanamine(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/510764-23-5.gif)
![CAS 510764-57-5 DIMETHYL-[3-(TETRAHYDRO-PYRIMIDIN-1-YL)-PROPYL]-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB7220285.gif)
